#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c50 n SER 2 N 0.00 0.00 -0.86 0.00 2.88 -1.26 -5.04 113.62 109.35 2c50 n SER 2 Ca 0.00 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.66 2c50 n SER 2 Cb 0.00 0.00 0.24 0.00 -0.75 0.00 0.00 64.21 63.70 2c50 n SER 2 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2c50 n ASN 3 N 0.00 2.64 -3.98 -3.46 0.23 -1.26 -4.64 115.26 104.79 2c50 n ASN 3 Ca 0.00 -1.86 -0.42 0.00 -0.53 0.00 0.00 54.58 51.76 2c50 n ASN 3 Cb 0.00 -0.06 0.00 0.00 -2.08 0.00 0.00 39.78 37.64 2c50 n ASN 3 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 2c50 n PHE 4 N 1.03 3.78 -4.52 -2.53 -0.00 -1.26 -4.90 117.46 109.06 2c50 n PHE 4 Ca 0.16 -2.94 -0.25 0.00 -0.00 0.00 0.00 57.45 54.43 2c50 n PHE 4 Cb 0.52 -2.47 -0.11 0.00 -0.00 0.00 0.00 39.48 37.42 2c50 n PHE 4 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 2c50 s THR 5 N 2.96 1.90 0.67 -2.13 -4.23 -1.26 -4.83 115.64 108.72 2c50 s THR 5 Ca 0.47 -2.11 -0.11 0.00 -1.18 0.00 0.00 61.69 58.76 2c50 s THR 5 Cb 0.10 -2.70 -0.01 0.00 1.34 0.00 0.00 72.50 71.24 2c50 s THR 5 CO -0.03 -0.16 1.05 0.00 -0.54 0.00 0.00 174.62 174.94 2c50 s GLN 6 N -3.70 3.13 0.18 3.99 -2.07 -1.26 -4.59 119.66 115.34 2c50 s GLN 6 Ca 0.33 0.85 -0.23 0.00 -1.82 0.00 0.00 55.36 54.48 2c50 s GLN 6 Cb 0.05 -2.02 0.06 0.00 -1.09 0.00 0.00 33.01 30.01 2c50 s GLN 6 CO 0.16 -0.93 0.73 -0.59 -1.32 0.00 0.00 175.29 173.33 2c50 s PHE 7 N -3.11 -0.34 -0.43 9.60 -0.71 -0.34 -4.99 117.98 117.65 2c50 s PHE 7 Ca 0.57 0.04 -0.25 0.00 -1.04 0.00 0.00 56.93 56.25 2c50 s PHE 7 Cb -0.13 0.62 0.02 0.00 -1.21 0.00 0.00 43.02 42.32 2c50 s PHE 7 CO 0.54 -0.94 0.91 0.08 -1.34 0.00 0.00 175.22 174.47 2c50 s VAL 8 N -3.67 4.52 -0.07 -2.49 1.01 -1.26 -0.71 120.40 117.74 2c50 s VAL 8 Ca 0.06 0.83 -0.25 0.00 0.00 0.00 0.00 61.98 62.63 2c50 s VAL 8 Cb -0.03 -4.39 -0.26 0.00 0.00 0.00 0.00 36.38 31.70 2c50 s VAL 8 CO -0.04 -0.74 0.94 0.25 0.00 0.00 0.00 175.10 175.52 2c50 h LEU 9 N 10.38 0.25 -8.13 3.92 5.85 -1.22 -3.44 115.31 122.92 2c50 h LEU 9 Ca -0.24 -0.87 -0.67 0.00 0.84 0.00 0.00 57.88 56.94 2c50 h LEU 9 Cb 1.08 -0.08 -0.34 0.00 0.37 0.00 0.00 40.66 41.69 2c50 h LEU 9 CO 1.01 1.09 -0.85 -0.69 -0.34 0.00 0.00 178.44 178.66 2c50 s VAL 10 N -2.75 2.18 -0.21 1.05 1.01 -0.77 -5.00 120.40 115.91 2c50 s VAL 10 Ca -0.16 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 60.84 2c50 s VAL 10 Cb 0.00 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 2c50 s VAL 10 CO 0.76 0.53 0.05 -0.62 0.00 0.00 0.00 175.10 175.82 2c50 s ASP 11 N 1.16 5.23 -0.35 3.32 2.15 -1.26 -1.11 116.67 125.81 2c50 s ASP 11 Ca 0.02 -0.10 0.12 0.00 0.43 0.00 0.00 52.55 53.02 2c50 s ASP 11 Cb -0.14 -1.91 0.45 0.00 -0.30 0.00 0.00 42.92 41.03 2c50 s ASP 11 CO -0.09 0.08 1.07 0.59 -0.17 0.00 0.00 175.17 176.64 2c50 n ASN 12 N 4.18 3.18 -3.35 -0.34 3.02 -1.26 -4.98 115.26 115.70 2c50 n ASN 12 Ca -0.17 -3.14 -0.13 0.00 -0.03 0.00 0.00 54.58 51.11 2c50 n ASN 12 Cb 0.52 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 39.22 2c50 n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2c50 n GLY 13 N -0.39 -1.17 2.51 7.41 0.00 -1.26 -3.03 105.19 109.26 2c50 n GLY 13 Ca 0.25 0.65 -0.04 0.00 0.00 0.00 0.00 46.02 46.88 2c50 n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c50 n GLY 14 N -1.47 -0.50 2.99 -0.02 0.00 -1.26 -4.91 105.19 100.03 2c50 n GLY 14 Ca -0.12 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.86 2c50 n GLY 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2c50 s THR 15 N -2.18 -0.74 0.00 2.61 -4.23 -1.17 -4.81 115.64 105.13 2c50 s THR 15 Ca 0.01 -0.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.41 2c50 s THR 15 Cb -0.00 -0.92 0.00 0.00 1.34 0.00 0.00 72.50 72.91 2c50 s THR 15 CO 0.01 -0.13 0.00 0.61 -0.54 0.00 0.00 174.62 174.58 2c50 n GLY 16 N 5.38 0.52 3.66 3.99 0.00 -1.26 -4.66 105.19 112.83 2c50 n GLY 16 Ca -0.01 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 2c50 n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2c50 s ASP 17 N -2.81 7.01 -0.59 1.61 1.11 -1.26 -4.67 116.67 117.06 2c50 s ASP 17 Ca 0.00 1.59 -0.26 0.00 0.18 0.00 0.00 52.55 54.06 2c50 s ASP 17 Cb 0.00 -2.54 0.04 0.00 1.07 0.00 0.00 42.92 41.49 2c50 s ASP 17 CO 0.00 -0.72 1.07 -0.69 1.18 0.00 0.00 175.17 176.01 2c50 s VAL 18 N 3.34 4.18 -0.05 -1.27 1.01 -0.27 -4.97 120.40 122.37 2c50 s VAL 18 Ca 0.51 0.43 -0.04 0.00 0.00 0.00 0.00 61.98 62.89 2c50 s VAL 18 Cb -0.19 -4.66 -0.04 0.00 0.00 0.00 0.00 36.38 31.48 2c50 s VAL 18 CO 0.12 -1.31 0.15 0.28 0.00 0.00 0.00 175.10 174.34 2c50 s THR 19 N 4.51 5.33 -0.05 3.92 -1.32 -1.26 -0.65 115.64 126.12 2c50 s THR 19 Ca 0.34 -0.08 0.05 0.00 -1.21 0.00 0.00 61.69 60.80 2c50 s THR 19 Cb -0.11 -3.42 -0.01 0.00 -1.51 0.00 0.00 72.50 67.45 2c50 s THR 19 CO 0.20 0.43 -0.21 -0.69 -2.21 0.00 0.00 174.62 172.14 2c50 s VAL 20 N -1.20 1.75 0.19 5.08 1.01 0.11 -4.42 120.40 122.91 2c50 s VAL 20 Ca 0.22 -0.90 0.11 0.00 0.00 0.00 0.00 61.98 61.42 2c50 s VAL 20 Cb -0.12 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 2c50 s VAL 20 CO 0.13 0.49 -0.23 0.00 0.00 0.00 0.00 175.10 175.49 2c50 s ALA 21 N -0.09 2.55 0.45 5.51 0.00 -0.42 -1.20 121.76 128.56 2c50 s ALA 21 Ca -0.03 -1.61 -0.24 0.00 0.00 0.00 0.00 51.96 50.08 2c50 s ALA 21 Cb -0.12 -0.37 -0.09 0.00 0.00 0.00 0.00 23.12 22.54 2c50 s ALA 21 CO 0.03 0.45 1.18 -2.30 0.00 0.00 0.00 175.76 175.11 2c50 n PRO 22 N 0.32 1.65 0.00 0.00 -0.02 -1.26 -1.41 135.00 134.28 2c50 n PRO 22 Ca -0.13 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2c50 n PRO 22 Cb 0.56 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 2c50 n PRO 22 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2c50 n SER 23 N 0.11 0.00 0.00 2.55 3.41 0.24 -4.79 113.62 115.14 2c50 n SER 23 Ca 0.08 -0.75 0.00 0.00 -0.26 0.00 0.00 58.87 57.95 2c50 n SER 23 Cb 0.40 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 2c50 n SER 23 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2c50 n ASN 24 N 0.00 0.00 -0.42 4.04 2.85 -1.21 -4.97 115.26 115.55 2c50 n ASN 24 Ca 0.00 0.00 0.01 0.00 -0.11 0.00 0.00 54.58 54.48 2c50 n ASN 24 Cb 0.19 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.22 2c50 n ASN 24 CO 0.00 0.00 0.00 0.33 -2.11 0.00 0.00 177.26 175.48 2c50 n PHE 25 N -0.07 0.00 -1.96 1.20 -0.00 -1.26 -0.28 117.46 115.09 2c50 n PHE 25 Ca 0.00 -0.11 -0.42 0.00 -0.00 0.00 0.00 57.45 56.92 2c50 n PHE 25 Cb 0.00 -0.06 -0.03 0.00 -0.00 0.00 0.00 39.48 39.40 2c50 n PHE 25 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2c50 s ALA 26 N -0.32 3.73 -0.91 3.13 0.00 -1.26 -2.88 121.76 123.26 2c50 s ALA 26 Ca 0.03 1.35 -0.01 0.00 0.00 0.00 0.00 51.96 53.33 2c50 s ALA 26 Cb 0.03 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.55 2c50 s ALA 26 CO 0.00 -0.77 0.17 0.09 0.00 0.00 0.00 175.76 175.26 2c50 n ASN 27 N 3.47 -3.88 -0.74 0.00 3.02 -1.26 -3.29 115.26 112.58 2c50 n ASN 27 Ca 0.12 -0.09 -0.10 0.00 -0.03 0.00 0.00 54.58 54.48 2c50 n ASN 27 Cb 0.39 -2.93 -0.04 0.00 -0.61 0.00 0.00 39.78 36.59 2c50 n ASN 27 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2c50 n GLY 28 N -1.10 1.03 3.18 7.41 0.00 -1.14 -4.96 105.19 109.61 2c50 n GLY 28 Ca -0.10 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 2c50 n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c50 s VAL 29 N -2.08 3.18 0.19 1.61 1.01 -1.21 -4.62 120.40 118.48 2c50 s VAL 29 Ca 0.00 -1.45 -0.30 0.00 0.00 0.00 0.00 61.98 60.23 2c50 s VAL 29 Cb 0.00 -2.88 -0.08 0.00 0.00 0.00 0.00 36.38 33.42 2c50 s VAL 29 CO 0.00 -0.22 1.18 0.00 0.00 0.00 0.00 175.10 176.06 2c50 s ALA 30 N 1.26 3.43 0.03 5.51 0.00 -0.33 -4.02 121.76 127.64 2c50 s ALA 30 Ca -0.02 0.93 0.05 0.00 0.00 0.00 0.00 51.96 52.92 2c50 s ALA 30 Cb -0.20 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.50 2c50 s ALA 30 CO -0.01 -0.34 -0.15 -2.00 0.00 0.00 0.00 175.76 173.27 2c50 s GLU 31 N -0.38 1.01 0.00 0.00 2.12 0.61 -1.38 118.70 120.68 2c50 s GLU 31 Ca 0.52 -0.73 0.03 0.00 0.36 0.00 0.00 54.97 55.14 2c50 s GLU 31 Cb -0.32 -1.02 -0.01 0.00 0.26 0.00 0.00 34.13 33.04 2c50 s GLU 31 CO 0.37 0.26 -0.09 -1.58 -0.54 0.00 0.00 175.26 173.67 2c50 s TRP 32 N -0.76 0.83 0.07 5.30 0.51 0.20 -0.59 118.94 124.50 2c50 s TRP 32 Ca 0.03 -0.21 -0.05 0.00 -2.12 0.00 0.00 56.10 53.75 2c50 s TRP 32 Cb -0.07 -0.52 -0.02 0.00 -0.81 0.00 0.00 33.47 32.04 2c50 s TRP 32 CO 0.01 -0.01 0.09 0.96 -0.51 0.00 0.00 176.95 177.49 2c50 s ILE 33 N -0.41 0.18 0.55 2.03 -4.36 -0.50 -1.42 121.20 117.27 2c50 s ILE 33 Ca 0.02 -1.45 -0.03 0.00 -0.26 0.00 0.00 60.65 58.92 2c50 s ILE 33 Cb -0.05 -1.40 0.01 0.00 1.25 0.00 0.00 42.46 42.27 2c50 s ILE 33 CO -0.00 -0.80 0.83 -0.94 0.24 0.00 0.00 174.94 174.26 2c50 s SER 34 N -2.85 5.59 -1.00 4.36 1.04 -1.09 -1.30 113.70 118.45 2c50 s SER 34 Ca 0.05 0.51 -0.24 0.00 0.48 0.00 0.00 55.95 56.75 2c50 s SER 34 Cb 0.06 -1.54 -0.04 0.00 0.10 0.00 0.00 66.02 64.59 2c50 s SER 34 CO -0.10 -1.00 1.89 -0.44 0.98 0.00 0.00 173.24 174.57 2c50 s SER 35 N -4.30 5.30 0.31 7.02 0.01 -1.26 -4.77 113.70 116.01 2c50 s SER 35 Ca 0.53 -1.05 -0.13 0.00 1.31 0.00 0.00 55.95 56.61 2c50 s SER 35 Cb -0.10 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.57 2c50 s SER 35 CO 0.42 -2.66 0.60 0.20 0.41 0.00 0.00 173.24 172.21 2c50 s ASN 36 N 7.24 0.11 0.39 2.44 0.01 -1.26 -5.05 114.94 118.83 2c50 s ASN 36 Ca 0.67 -1.04 -0.26 0.00 -0.71 0.00 0.00 52.86 51.52 2c50 s ASN 36 Cb -0.04 0.69 -0.09 0.00 0.41 0.00 0.00 41.25 42.22 2c50 s ASN 36 CO 0.02 -1.34 1.21 -0.94 -1.51 0.00 0.00 177.10 174.54 2c50 s SER 37 N -3.06 6.50 0.41 -1.22 1.04 -1.26 -4.78 113.70 111.33 2c50 s SER 37 Ca 0.20 2.46 0.18 0.00 0.48 0.00 0.00 55.95 59.27 2c50 s SER 37 Cb -0.03 -2.62 0.97 0.00 0.10 0.00 0.00 66.02 64.44 2c50 s SER 37 CO 0.12 -0.70 1.48 -0.09 0.98 0.00 0.00 173.24 175.02 2c50 h ARG 38 N 2.74 0.00 0.00 4.02 9.65 -1.97 0.97 114.38 129.79 2c50 h ARG 38 Ca -0.49 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.39 2c50 h ARG 38 Cb 1.24 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.82 2c50 h ARG 38 CO 0.63 0.00 -0.67 0.66 2.80 0.00 0.00 179.97 183.39 2c50 h SER 39 N 0.00 0.00 -0.02 -3.80 4.64 -1.88 -3.35 113.55 109.14 2c50 h SER 39 Ca 0.00 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 2c50 h SER 39 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 2c50 h SER 39 CO 0.00 0.06 0.00 0.00 -0.87 0.00 0.00 176.83 176.02 2c50 n GLN 40 N -2.39 0.53 -2.42 4.77 6.02 0.27 -3.92 117.38 120.24 2c50 n GLN 40 Ca 0.02 -0.93 -0.33 0.00 -0.01 0.00 0.00 57.00 55.75 2c50 n GLN 40 Cb 0.48 -1.03 -0.03 0.00 1.02 0.00 0.00 30.24 30.69 2c50 n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2c50 s ALA 41 N -0.43 2.88 0.27 -1.58 0.00 -0.79 -4.83 121.76 117.28 2c50 s ALA 41 Ca 0.02 0.47 -0.28 0.00 0.00 0.00 0.00 51.96 52.18 2c50 s ALA 41 Cb 0.01 -3.22 -0.09 0.00 0.00 0.00 0.00 23.12 19.82 2c50 s ALA 41 CO 0.02 -0.39 0.92 0.71 0.00 0.00 0.00 175.76 177.02 2c50 s TYR 42 N -2.21 3.85 -0.01 0.00 1.51 -1.26 -4.68 117.35 114.54 2c50 s TYR 42 Ca 0.65 1.82 0.03 0.00 -1.01 0.00 0.00 57.07 58.55 2c50 s TYR 42 Cb -0.15 -2.92 -0.00 0.00 -0.11 0.00 0.00 41.96 38.78 2c50 s TYR 42 CO 0.25 0.36 -0.10 0.21 -1.11 0.00 0.00 175.55 175.16 2c50 s LYS 43 N -1.56 0.91 -0.04 -0.62 2.20 -1.02 -2.66 119.74 116.95 2c50 s LYS 43 Ca 0.44 -0.36 0.01 0.00 -0.36 0.00 0.00 55.97 55.70 2c50 s LYS 43 Cb -0.22 -0.87 0.02 0.00 -1.51 0.00 0.00 37.83 35.25 2c50 s LYS 43 CO 0.28 0.20 -0.03 0.08 -0.36 0.00 0.00 175.35 175.51 2c50 s VAL 44 N -0.12 0.45 0.12 4.02 1.01 -0.51 -0.45 120.40 124.93 2c50 s VAL 44 Ca 0.02 -0.06 0.06 0.00 0.00 0.00 0.00 61.98 61.99 2c50 s VAL 44 Cb -0.06 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 2c50 s VAL 44 CO -0.00 0.21 -0.14 0.42 0.00 0.00 0.00 175.10 175.59 2c50 s THR 45 N 1.01 1.31 -0.13 3.92 -4.23 -0.15 -0.63 115.64 116.73 2c50 s THR 45 Ca -0.10 -1.73 -0.17 0.00 -1.18 0.00 0.00 61.69 58.52 2c50 s THR 45 Cb -0.14 -1.53 0.04 0.00 1.34 0.00 0.00 72.50 72.21 2c50 s THR 45 CO -0.01 -0.44 0.45 0.00 -0.54 0.00 0.00 174.62 174.09 2c50 s SER 47 N -0.19 -0.45 -0.03 0.00 1.04 -0.88 -1.19 113.70 112.01 2c50 s SER 47 Ca -0.04 0.66 0.06 0.00 0.48 0.00 0.00 55.95 57.11 2c50 s SER 47 Cb -0.03 0.70 -0.02 0.00 0.10 0.00 0.00 66.02 66.76 2c50 s SER 47 CO 0.02 -0.36 -0.19 -0.69 0.98 0.00 0.00 173.24 173.01 2c50 s VAL 48 N -0.56 2.69 0.01 5.02 1.01 -1.26 -0.75 120.40 126.55 2c50 s VAL 48 Ca -0.07 -0.92 -0.03 0.00 0.00 0.00 0.00 61.98 60.96 2c50 s VAL 48 Cb -0.03 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 2c50 s VAL 48 CO 0.04 0.55 0.05 -0.60 0.00 0.00 0.00 175.10 175.14 2c50 s ARG 49 N -0.80 0.38 -1.35 2.72 3.52 -0.65 -4.97 118.95 117.81 2c50 s ARG 49 Ca 0.11 -0.49 -0.09 0.00 -0.13 0.00 0.00 55.73 55.13 2c50 s ARG 49 Cb -0.10 0.15 0.12 0.00 -1.56 0.00 0.00 34.95 33.55 2c50 s ARG 49 CO 0.01 -0.08 2.12 0.94 -0.81 0.00 0.00 175.30 177.48 2c50 n GLN 50 N 1.60 3.67 0.28 5.12 -0.06 -1.26 -0.26 117.38 126.46 2c50 n GLN 50 Ca -0.23 -3.25 0.06 0.00 -2.00 0.00 0.00 57.00 51.58 2c50 n GLN 50 Cb 0.55 -2.93 0.29 0.00 -4.06 0.00 0.00 30.24 24.10 2c50 n GLN 50 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 2c50 h SER 51 N 5.52 0.00 -2.29 1.69 4.64 -1.86 -3.43 113.55 117.82 2c50 h SER 51 Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 2c50 h SER 51 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2c50 h SER 51 CO 1.66 0.00 0.23 -0.24 -0.87 0.00 0.00 176.83 177.61 2c50 n SER 52 N -2.41 -1.52 -0.21 4.97 2.88 -1.21 -4.96 113.62 111.17 2c50 n SER 52 Ca -0.01 -2.01 -0.06 0.00 -1.33 0.00 0.00 58.87 55.45 2c50 n SER 52 Cb 0.67 2.52 0.08 0.00 -0.75 0.00 0.00 64.21 66.73 2c50 n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2c50 h ALA 53 N 2.00 0.99 -0.05 -1.46 0.00 -2.03 -3.27 119.26 115.43 2c50 h ALA 53 Ca -0.22 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 2c50 h ALA 53 Cb 0.84 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2c50 h ALA 53 CO 0.28 0.64 -0.21 1.04 0.00 0.00 0.00 179.25 181.01 2c50 n GLN 54 N -4.22 1.58 -4.05 0.00 6.02 -1.26 -4.97 117.38 110.47 2c50 n GLN 54 Ca 0.04 -2.95 -0.11 0.00 -0.01 0.00 0.00 57.00 53.97 2c50 n GLN 54 Cb 0.28 -1.60 -0.11 0.00 1.02 0.00 0.00 30.24 29.83 2c50 n GLN 54 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2c50 s ASN 55 N -2.92 0.65 0.00 1.08 0.02 -1.24 -1.82 114.94 110.71 2c50 s ASN 55 Ca 0.36 -0.61 0.05 0.00 -1.02 0.00 0.00 52.86 51.64 2c50 s ASN 55 Cb 0.33 0.08 -0.01 0.00 0.02 0.00 0.00 41.25 41.66 2c50 s ASN 55 CO -0.01 -0.29 -0.15 -0.13 0.02 0.00 0.00 177.10 176.54 2c50 s ARG 56 N -1.93 1.17 -0.10 -0.60 0.52 -0.55 -2.98 118.95 114.48 2c50 s ARG 56 Ca -0.09 -0.60 -0.01 0.00 -0.52 0.00 0.00 55.73 54.51 2c50 s ARG 56 Cb -0.07 -1.15 0.03 0.00 0.52 0.00 0.00 34.95 34.27 2c50 s ARG 56 CO -0.01 0.31 -0.05 0.21 0.02 0.00 0.00 175.30 175.78 2c50 s LYS 57 N -0.55 1.22 0.00 3.54 2.20 0.64 -0.84 119.74 125.95 2c50 s LYS 57 Ca 0.05 -0.15 -0.17 0.00 -0.36 0.00 0.00 55.97 55.34 2c50 s LYS 57 Cb -0.06 -1.41 -0.06 0.00 -1.51 0.00 0.00 37.83 34.79 2c50 s LYS 57 CO -0.00 -0.29 0.47 0.71 -0.36 0.00 0.00 175.35 175.88 2c50 s TYR 58 N 1.79 3.72 -0.24 4.03 1.51 -0.22 -1.63 117.35 126.31 2c50 s TYR 58 Ca 0.05 1.06 0.01 0.00 -1.01 0.00 0.00 57.07 57.18 2c50 s TYR 58 Cb -0.13 -2.40 0.06 0.00 -0.11 0.00 0.00 41.96 39.39 2c50 s TYR 58 CO -0.07 0.55 -0.04 0.99 -1.11 0.00 0.00 175.55 175.87 2c50 s THR 59 N -0.80 1.48 -0.06 -0.71 2.01 0.07 -1.14 115.64 116.49 2c50 s THR 59 Ca 0.26 -1.24 0.03 0.00 0.31 0.00 0.00 61.69 61.05 2c50 s THR 59 Cb -0.17 -1.79 -0.02 0.00 0.01 0.00 0.00 72.50 70.53 2c50 s THR 59 CO 0.15 -0.15 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.14 2c50 s ILE 60 N 1.41 2.97 -0.01 1.82 1.01 -0.31 -2.07 121.20 126.02 2c50 s ILE 60 Ca -0.04 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 59.87 2c50 s ILE 60 Cb -0.19 -2.17 0.00 0.00 0.01 0.00 0.00 42.46 40.12 2c50 s ILE 60 CO -0.07 0.58 -0.03 -0.54 0.00 0.00 0.00 174.94 174.88 2c50 s LYS 61 N -0.54 0.26 0.00 2.79 1.02 -0.53 -1.01 119.74 121.73 2c50 s LYS 61 Ca 0.07 -0.09 0.05 0.00 0.02 0.00 0.00 55.97 56.02 2c50 s LYS 61 Cb -0.11 -0.27 -0.01 0.00 -0.52 0.00 0.00 37.83 36.91 2c50 s LYS 61 CO 0.01 0.05 -0.15 0.08 -0.92 0.00 0.00 175.35 174.42 2c50 s VAL 62 N 0.03 1.18 -0.20 3.17 1.01 -0.73 -0.98 120.40 123.89 2c50 s VAL 62 Ca 0.00 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.25 2c50 s VAL 62 Cb -0.02 -1.01 0.04 0.00 0.00 0.00 0.00 36.38 35.39 2c50 s VAL 62 CO -0.00 0.25 -0.11 -1.61 0.00 0.00 0.00 175.10 173.63 2c50 s GLU 63 N -0.56 2.16 -0.30 2.72 2.02 0.41 -1.07 118.70 124.07 2c50 s GLU 63 Ca 0.05 -0.88 -0.09 0.00 0.02 0.00 0.00 54.97 54.07 2c50 s GLU 63 Cb -0.06 -2.46 -0.01 0.00 0.10 0.00 0.00 34.13 31.69 2c50 s GLU 63 CO -0.00 -0.41 0.14 0.08 0.02 0.00 0.00 175.26 175.09 2c50 s VAL 64 N 1.36 4.57 0.11 2.63 1.01 0.16 -2.43 120.40 127.81 2c50 s VAL 64 Ca -0.01 -0.35 -0.05 0.00 0.00 0.00 0.00 61.98 61.56 2c50 s VAL 64 Cb -0.16 -3.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.88 2c50 s VAL 64 CO -0.08 0.13 0.35 -2.16 0.00 0.00 0.00 175.10 173.33 2c50 s PRO 65 N 1.62 3.62 -0.54 2.72 0.04 -1.26 -0.02 135.00 141.18 2c50 s PRO 65 Ca 0.05 -0.08 -0.12 0.00 0.04 0.00 0.00 61.00 60.89 2c50 s PRO 65 Cb -0.17 -2.92 0.13 0.00 0.04 0.00 0.00 34.50 31.59 2c50 s PRO 65 CO 0.06 0.52 0.45 0.21 0.04 0.00 0.00 177.00 178.28 2c50 s LYS 66 N -2.39 2.79 0.26 4.56 2.47 -0.34 -5.00 119.74 122.09 2c50 s LYS 66 Ca 0.37 -1.84 -0.30 0.00 -1.56 0.00 0.00 55.97 52.65 2c50 s LYS 66 Cb -0.13 -4.12 -0.10 0.00 -1.46 0.00 0.00 37.83 32.03 2c50 s LYS 66 CO 0.23 -1.26 1.37 0.14 0.16 0.00 0.00 175.35 175.98 2c50 s VAL 67 N 1.30 2.80 0.24 4.02 -7.23 -1.26 -0.15 120.40 120.12 2c50 s VAL 67 Ca 0.06 0.71 -0.10 0.00 -1.81 0.00 0.00 61.98 60.84 2c50 s VAL 67 Cb -0.26 -3.45 -0.01 0.00 0.56 0.00 0.00 36.38 33.22 2c50 s VAL 67 CO -0.00 0.13 0.41 0.00 -0.31 0.00 0.00 175.10 175.33 2c50 s ALA 68 N -0.34 0.08 -0.31 1.32 0.00 -0.54 -4.77 121.76 117.21 2c50 s ALA 68 Ca 0.55 -1.07 0.03 0.00 0.00 0.00 0.00 51.96 51.47 2c50 s ALA 68 Cb -0.40 1.14 0.09 0.00 0.00 0.00 0.00 23.12 23.94 2c50 s ALA 68 CO 0.45 -0.80 0.01 0.99 0.00 0.00 0.00 175.76 176.41 2c50 s THR 69 N -3.99 1.98 0.57 0.00 2.01 -1.26 -1.38 115.64 113.57 2c50 s THR 69 Ca 0.26 -1.94 -0.05 0.00 0.31 0.00 0.00 61.69 60.27 2c50 s THR 69 Cb 0.01 -2.36 0.01 0.00 0.01 0.00 0.00 72.50 70.16 2c50 s THR 69 CO 0.10 -0.43 0.86 -1.58 -0.69 0.00 0.00 174.62 172.88 2c50 s GLN 70 N 1.10 2.96 -0.61 4.92 0.74 -0.66 -4.86 119.66 123.25 2c50 s GLN 70 Ca 0.05 -0.08 0.04 0.00 0.05 0.00 0.00 55.36 55.42 2c50 s GLN 70 Cb -0.19 -2.32 0.16 0.00 1.10 0.00 0.00 33.01 31.77 2c50 s GLN 70 CO -0.09 -0.62 0.43 0.99 -0.55 0.00 0.00 175.29 175.45 2c50 s THR 71 N -2.91 2.19 -0.15 -0.34 2.01 -1.26 -1.07 115.64 114.10 2c50 s THR 71 Ca 0.53 -3.74 -0.18 0.00 0.31 0.00 0.00 61.69 58.61 2c50 s THR 71 Cb -0.10 -2.45 -0.04 0.00 0.01 0.00 0.00 72.50 69.91 2c50 s THR 71 CO 0.44 -1.04 0.50 -0.69 -0.69 0.00 0.00 174.62 173.14 2c50 s VAL 72 N -0.92 5.15 -1.61 3.82 1.01 -0.69 -4.11 120.40 123.04 2c50 s VAL 72 Ca 0.26 0.96 -0.04 0.00 0.00 0.00 0.00 61.98 63.16 2c50 s VAL 72 Cb -0.05 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.50 2c50 s VAL 72 CO -0.15 0.26 0.50 0.61 0.00 0.00 0.00 175.10 176.32 2c50 n GLY 73 N 3.52 -0.52 2.47 4.51 0.00 -1.26 -2.00 105.19 111.92 2c50 n GLY 73 Ca -0.06 0.11 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 2c50 n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c50 n GLY 74 N -1.44 0.46 3.35 -0.02 0.00 -1.26 -5.00 105.19 101.28 2c50 n GLY 74 Ca -0.14 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 2c50 n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c50 s VAL 75 N -1.69 2.15 -0.23 1.61 1.01 -0.85 -5.09 120.40 117.33 2c50 s VAL 75 Ca 0.00 -1.47 -0.19 0.00 0.00 0.00 0.00 61.98 60.32 2c50 s VAL 75 Cb 0.00 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 2c50 s VAL 75 CO 0.00 0.30 0.57 -1.61 0.00 0.00 0.00 175.10 174.36 2c50 s GLU 76 N -1.43 4.15 -0.04 2.72 2.02 -1.26 -1.71 118.70 123.16 2c50 s GLU 76 Ca 0.12 0.47 0.05 0.00 0.02 0.00 0.00 54.97 55.63 2c50 s GLU 76 Cb -0.10 -3.61 -0.01 0.00 0.10 0.00 0.00 34.13 30.52 2c50 s GLU 76 CO 0.03 -0.28 -0.20 -0.51 0.02 0.00 0.00 175.26 174.33 2c50 s LEU 77 N 2.05 1.99 -0.02 1.80 1.43 -0.23 -4.98 118.68 120.71 2c50 s LEU 77 Ca 0.25 -0.39 -0.30 0.00 -1.03 0.00 0.00 54.13 52.66 2c50 s LEU 77 Cb -0.16 -1.07 -0.04 0.00 0.03 0.00 0.00 46.19 44.95 2c50 s LEU 77 CO 0.09 0.20 1.25 -2.16 0.23 0.00 0.00 176.35 175.97 2c50 s PRO 78 N -0.18 4.35 0.17 1.29 0.04 -1.26 -1.65 135.00 137.76 2c50 s PRO 78 Ca 0.00 1.77 0.02 0.00 0.04 0.00 0.00 61.00 62.83 2c50 s PRO 78 Cb -0.11 -3.52 -0.01 0.00 0.04 0.00 0.00 34.50 30.90 2c50 s PRO 78 CO 0.01 -0.45 0.19 1.55 0.04 0.00 0.00 177.00 178.35 2c50 n VAL 79 N 4.51 0.00 -4.09 -0.36 3.14 -0.48 -4.74 118.33 116.31 2c50 n VAL 79 Ca 0.11 -1.07 -0.32 0.00 -2.96 0.00 0.00 64.34 60.10 2c50 n VAL 79 Cb 0.46 0.58 -0.16 0.00 -1.06 0.00 0.00 33.84 33.66 2c50 n VAL 79 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2c50 s ALA 80 N -2.45 2.26 0.26 1.55 0.00 -1.25 -1.47 121.76 120.66 2c50 s ALA 80 Ca 0.18 -1.22 -0.02 0.00 0.00 0.00 0.00 51.96 50.90 2c50 s ALA 80 Cb 0.00 -1.20 0.42 0.00 0.00 0.00 0.00 23.12 22.34 2c50 s ALA 80 CO 0.12 -0.45 1.87 0.00 0.00 0.00 0.00 175.76 177.30 2c50 h ALA 81 N 7.94 1.37 -2.37 0.00 0.00 -0.85 -3.46 119.26 121.91 2c50 h ALA 81 Ca -0.41 -0.01 0.17 0.00 0.00 0.00 0.00 54.91 54.65 2c50 h ALA 81 Cb 1.13 -0.27 -0.08 0.00 0.00 0.00 0.00 17.79 18.56 2c50 h ALA 81 CO 0.60 0.36 0.47 1.67 0.00 0.00 0.00 179.25 182.36 2c50 s TRP 82 N -6.03 -0.15 0.05 0.00 1.48 -1.25 -5.02 118.94 108.02 2c50 s TRP 82 Ca -0.12 -0.16 0.04 0.00 -1.06 0.00 0.00 56.10 54.80 2c50 s TRP 82 Cb 0.20 0.64 -0.02 0.00 -1.16 0.00 0.00 33.47 33.12 2c50 s TRP 82 CO 0.81 -0.83 -0.11 1.03 -4.06 0.00 0.00 176.95 173.78 2c50 s ARG 83 N -3.30 0.72 -0.11 3.25 0.52 -1.26 -1.20 118.95 117.56 2c50 s ARG 83 Ca 0.12 -0.79 -0.01 0.00 -0.52 0.00 0.00 55.73 54.53 2c50 s ARG 83 Cb -0.02 -0.65 -0.03 0.00 0.52 0.00 0.00 34.95 34.78 2c50 s ARG 83 CO 0.02 0.14 -0.06 0.45 0.02 0.00 0.00 175.30 175.87 2c50 s SER 84 N -1.44 4.63 -0.09 0.23 0.15 0.97 -4.95 113.70 113.21 2c50 s SER 84 Ca -0.04 -0.10 0.04 0.00 0.70 0.00 0.00 55.95 56.55 2c50 s SER 84 Cb -0.09 -1.48 -0.01 0.00 -1.71 0.00 0.00 66.02 62.73 2c50 s SER 84 CO 0.01 0.26 -0.21 -0.31 1.20 0.00 0.00 173.24 174.19 2c50 s TYR 85 N -0.18 2.58 -0.16 3.44 1.51 -1.26 -0.66 117.35 122.62 2c50 s TYR 85 Ca 0.02 -0.77 -0.03 0.00 -1.01 0.00 0.00 57.07 55.28 2c50 s TYR 85 Cb -0.13 -1.69 -0.02 0.00 -0.11 0.00 0.00 41.96 40.00 2c50 s TYR 85 CO 0.03 -0.25 -0.05 -1.17 -1.11 0.00 0.00 175.55 172.99 2c50 s LEU 86 N 0.08 3.13 -0.29 -1.29 2.96 -0.24 -4.98 118.68 118.06 2c50 s LEU 86 Ca -0.09 -0.19 0.01 0.00 -0.22 0.00 0.00 54.13 53.63 2c50 s LEU 86 Cb -0.15 -1.75 0.09 0.00 0.50 0.00 0.00 46.19 44.87 2c50 s LEU 86 CO 0.06 0.14 0.05 0.20 -1.32 0.00 0.00 176.35 175.48 2c50 s ASN 87 N 0.50 4.10 -0.06 3.68 -0.87 -1.26 -1.77 114.94 119.25 2c50 s ASN 87 Ca -0.04 -1.61 0.05 0.00 -1.57 0.00 0.00 52.86 49.69 2c50 s ASN 87 Cb -0.15 -1.11 -0.01 0.00 -0.02 0.00 0.00 41.25 39.96 2c50 s ASN 87 CO 0.03 -0.36 -0.22 0.00 -2.57 0.00 0.00 177.10 173.98 2c50 s MET 88 N 1.41 2.60 -0.11 -0.60 0.23 -0.18 -5.02 119.30 117.63 2c50 s MET 88 Ca 0.06 -0.85 0.04 0.00 -1.03 0.00 0.00 55.69 53.90 2c50 s MET 88 Cb -0.18 -2.24 0.00 0.00 -1.53 0.00 0.00 34.83 30.88 2c50 s MET 88 CO -0.15 0.42 -0.23 -1.21 -2.03 0.00 0.00 175.02 171.81 2c50 s GLU 89 N -0.23 3.03 -0.20 3.16 2.02 -1.26 -1.17 118.70 124.05 2c50 s GLU 89 Ca -0.01 -0.87 0.01 0.00 0.02 0.00 0.00 54.97 54.12 2c50 s GLU 89 Cb -0.13 -2.33 0.04 0.00 0.10 0.00 0.00 34.13 31.81 2c50 s GLU 89 CO 0.03 0.13 -0.12 -1.17 0.02 0.00 0.00 175.26 174.15 2c50 s LEU 90 N 0.47 2.40 -0.29 1.80 2.96 -0.29 -4.97 118.68 120.76 2c50 s LEU 90 Ca -0.16 -0.92 -0.11 0.00 -0.22 0.00 0.00 54.13 52.73 2c50 s LEU 90 Cb -0.17 -1.30 -0.04 0.00 0.50 0.00 0.00 46.19 45.18 2c50 s LEU 90 CO 0.06 -0.13 0.18 -0.89 -1.32 0.00 0.00 176.35 174.25 2c50 s THR 91 N 1.35 5.15 -0.12 3.68 2.01 -1.26 -1.06 115.64 125.39 2c50 s THR 91 Ca -0.01 0.04 0.03 0.00 0.31 0.00 0.00 61.69 62.05 2c50 s THR 91 Cb -0.16 -3.49 0.00 0.00 0.01 0.00 0.00 72.50 68.86 2c50 s THR 91 CO -0.08 0.21 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.20 2c50 s ILE 92 N 1.73 2.14 0.47 1.82 1.01 -0.02 -4.96 121.20 123.38 2c50 s ILE 92 Ca 0.07 -0.97 -0.23 0.00 0.00 0.00 0.00 60.65 59.51 2c50 s ILE 92 Cb -0.16 -1.84 -0.07 0.00 0.01 0.00 0.00 42.46 40.40 2c50 s ILE 92 CO 0.10 0.55 1.25 -2.16 0.00 0.00 0.00 174.94 174.68 2c50 s PRO 93 N 0.59 3.65 0.18 2.79 0.04 -1.26 -1.48 135.00 139.51 2c50 s PRO 93 Ca -0.12 1.99 0.15 0.00 0.04 0.00 0.00 61.00 63.06 2c50 s PRO 93 Cb -0.17 -2.46 0.74 0.00 0.04 0.00 0.00 34.50 32.65 2c50 s PRO 93 CO 0.03 -0.70 1.46 0.44 0.04 0.00 0.00 177.00 178.27 2c50 n ILE 94 N -0.47 1.27 1.61 0.56 -5.35 -0.76 -1.95 119.36 114.28 2c50 n ILE 94 Ca 0.07 0.51 0.15 0.00 -0.27 0.00 0.00 62.75 63.21 2c50 n ILE 94 Cb 0.46 -1.47 0.70 0.00 -1.74 0.00 0.00 39.64 37.60 2c50 n ILE 94 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2c50 n PHE 95 N -1.94 0.00 -2.50 4.28 3.72 -1.26 -4.85 117.46 114.90 2c50 n PHE 95 Ca 0.00 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.98 2c50 n PHE 95 Cb 0.08 -0.09 -0.02 0.00 -0.94 0.00 0.00 39.48 38.50 2c50 n PHE 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2c50 s ALA 96 N -2.23 3.54 0.98 4.37 0.00 -0.82 -5.03 121.76 122.58 2c50 s ALA 96 Ca 0.37 0.50 -0.16 0.00 0.00 0.00 0.00 51.96 52.67 2c50 s ALA 96 Cb 0.21 -3.54 0.20 0.00 0.00 0.00 0.00 23.12 20.00 2c50 s ALA 96 CO 0.41 -0.88 1.30 0.95 0.00 0.00 0.00 175.76 177.54 2c50 s THR 97 N 2.62 1.96 0.25 0.00 -4.23 -1.26 -4.83 115.64 110.14 2c50 s THR 97 Ca 0.53 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 61.01 2c50 s THR 97 Cb -0.22 -2.95 0.14 0.00 1.34 0.00 0.00 72.50 70.81 2c50 s THR 97 CO 0.18 0.00 1.78 0.78 -0.54 0.00 0.00 174.62 176.82 2c50 h ASN 98 N -1.72 0.89 0.69 3.99 4.21 -1.99 -1.76 115.58 119.89 2c50 h ASN 98 Ca -0.45 -0.18 -0.05 0.00 1.21 0.00 0.00 56.30 56.84 2c50 h ASN 98 Cb 1.24 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 38.20 2c50 h ASN 98 CO 0.39 0.87 -0.23 0.77 -1.29 0.00 0.00 177.43 177.94 2c50 h SER 99 N 0.90 0.00 -0.11 5.81 4.64 -1.99 -0.93 113.55 121.87 2c50 h SER 99 Ca 0.19 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.29 2c50 h SER 99 Cb 0.34 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.44 2c50 h SER 99 CO 0.00 0.23 -0.77 0.44 -0.87 0.00 0.00 176.83 175.86 2c50 h ASP 100 N 0.00 0.90 0.48 4.97 3.32 -1.71 -3.00 116.42 121.37 2c50 h ASP 100 Ca -0.00 -0.59 -0.14 0.00 0.02 0.00 0.00 57.03 56.32 2c50 h ASP 100 Cb 0.64 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 2c50 h ASP 100 CO 0.03 1.38 -0.60 0.00 -1.72 0.00 0.00 179.24 178.34 2c50 h GLU 102 N 0.09 0.00 -0.11 0.00 5.08 -1.18 -1.72 114.58 116.74 2c50 h GLU 102 Ca -0.01 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 2c50 h GLU 102 Cb 1.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 2c50 h GLU 102 CO 0.09 0.26 -0.49 1.25 -1.00 0.00 0.00 179.01 179.12 2c50 h LEU 103 N 0.00 0.31 -0.14 1.33 5.85 -1.32 -1.98 115.31 119.36 2c50 h LEU 103 Ca -0.00 -0.15 -0.20 0.00 0.84 0.00 0.00 57.88 58.37 2c50 h LEU 103 Cb 0.50 -0.09 0.01 0.00 0.37 0.00 0.00 40.66 41.46 2c50 h LEU 103 CO 0.03 0.75 -0.71 0.40 -0.34 0.00 0.00 178.44 178.57 2c50 h ILE 104 N 0.23 1.30 -0.59 4.05 2.04 -1.17 -2.54 117.51 120.82 2c50 h ILE 104 Ca 0.01 -1.94 -0.06 0.00 1.00 0.00 0.00 64.86 63.87 2c50 h ILE 104 Cb 0.94 2.05 -0.02 0.00 -0.74 0.00 0.00 36.82 39.05 2c50 h ILE 104 CO 0.08 0.61 0.12 0.58 0.00 0.00 0.00 178.15 179.53 2c50 h VAL 105 N 0.42 1.25 -0.43 1.67 2.07 -1.24 -2.16 116.25 117.84 2c50 h VAL 105 Ca -0.05 -0.95 -0.07 0.00 0.82 0.00 0.00 66.70 66.45 2c50 h VAL 105 Cb 1.35 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 2c50 h VAL 105 CO 0.15 0.35 -0.00 0.11 0.02 0.00 0.00 177.57 178.20 2c50 h LYS 106 N 0.87 0.70 -0.48 1.57 1.57 -1.38 -1.69 116.57 117.74 2c50 h LYS 106 Ca 0.18 -0.18 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 2c50 h LYS 106 Cb 0.39 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 2c50 h LYS 106 CO 0.01 0.72 0.15 0.00 -0.57 0.00 0.00 179.45 179.76 2c50 h ALA 107 N 1.34 0.63 0.00 3.86 0.00 -1.17 -0.30 119.26 123.61 2c50 h ALA 107 Ca 0.13 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2c50 h ALA 107 Cb 0.42 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2c50 h ALA 107 CO 0.02 0.27 -0.30 0.52 0.00 0.00 0.00 179.25 179.76 2c50 h MET 108 N 0.64 0.00 0.11 0.00 2.86 -1.01 -0.29 114.93 117.23 2c50 h MET 108 Ca 0.15 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.52 2c50 h MET 108 Cb 0.26 0.00 0.03 0.00 0.06 0.00 0.00 31.60 31.95 2c50 h MET 108 CO -0.01 0.30 -1.14 1.96 1.06 0.00 0.00 176.91 179.08 2c50 h GLN 109 N 0.00 0.58 -0.30 1.72 4.20 -0.93 -3.24 115.11 117.14 2c50 h GLN 109 Ca -0.00 -0.77 -0.10 0.00 0.06 0.00 0.00 58.65 57.84 2c50 h GLN 109 Cb 0.53 0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 2c50 h GLN 109 CO 0.04 1.34 -0.23 0.78 -0.67 0.00 0.00 178.83 180.09 2c50 h GLY 110 N 0.18 0.62 0.74 3.46 0.00 -0.85 -2.35 103.07 104.87 2c50 h GLY 110 Ca -0.17 -0.50 0.09 0.00 0.00 0.00 0.00 47.33 46.75 2c50 h GLY 110 CO 0.22 0.46 0.57 -2.00 0.00 0.00 0.00 176.54 175.79 2c50 h LEU 111 N 0.50 0.81 -2.38 3.11 5.85 -1.11 -2.81 115.31 119.28 2c50 h LEU 111 Ca 0.07 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2c50 h LEU 111 Cb 0.67 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.55 2c50 h LEU 111 CO 0.05 0.48 0.00 0.18 -0.34 0.00 0.00 178.44 178.81 2c50 n LEU 112 N -4.52 3.29 -4.77 2.25 4.77 -1.10 -4.41 117.00 112.51 2c50 n LEU 112 Ca 0.15 -1.59 -0.40 0.00 -0.03 0.00 0.00 56.01 54.14 2c50 n LEU 112 Cb 0.29 -0.25 0.01 0.00 -2.33 0.00 0.00 43.42 41.14 2c50 n LEU 112 CO 0.31 0.74 1.03 -0.75 -1.33 0.00 0.00 177.39 177.39 2c50 s LYS 113 N -1.28 3.76 0.23 3.23 2.20 -0.90 -4.81 119.74 122.16 2c50 s LYS 113 Ca 0.35 2.31 -0.31 0.00 -0.36 0.00 0.00 55.97 57.96 2c50 s LYS 113 Cb 0.20 -2.67 -0.14 0.00 -1.51 0.00 0.00 37.83 33.71 2c50 s LYS 113 CO 0.27 -0.72 1.29 -0.25 -0.36 0.00 0.00 175.35 175.58 2c50 n ASP 114 N -0.13 2.17 0.00 1.43 8.00 -1.26 -1.93 116.55 124.83 2c50 n ASP 114 Ca 0.05 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.70 2c50 n ASP 114 Cb 0.43 -1.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.18 2c50 n ASP 114 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2c50 n GLY 115 N 1.96 3.22 3.82 0.44 0.00 -1.26 -5.04 105.19 108.32 2c50 n GLY 115 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 2c50 n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2c50 s ASN 116 N -1.07 5.62 0.03 1.61 0.01 -0.81 -4.89 114.94 115.43 2c50 s ASN 116 Ca 0.00 1.67 -0.07 0.00 -0.71 0.00 0.00 52.86 53.75 2c50 s ASN 116 Cb 0.00 -2.51 -0.02 0.00 0.41 0.00 0.00 41.25 39.14 2c50 s ASN 116 CO 0.00 -1.28 1.11 -0.65 -1.51 0.00 0.00 177.10 174.77 2c50 h PRO 117 N -0.25 -0.01 -0.22 -0.60 0.11 -1.89 -2.83 132.00 126.32 2c50 h PRO 117 Ca -0.45 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.72 2c50 h PRO 117 Cb 1.21 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.26 2c50 h PRO 117 CO 0.57 -0.01 -0.21 0.82 -0.21 0.00 0.00 178.00 178.96 2c50 h ILE 118 N -0.01 0.45 0.00 4.15 2.04 -1.94 -1.42 117.51 120.78 2c50 h ILE 118 Ca 0.03 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 2c50 h ILE 118 Cb 0.09 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 36.62 2c50 h ILE 118 CO -0.19 0.00 -0.04 1.55 0.00 0.00 0.00 178.15 179.47 2c50 h PRO 119 N -0.23 0.00 -0.15 2.37 0.13 -1.76 -2.19 132.00 130.17 2c50 h PRO 119 Ca 0.13 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.09 2c50 h PRO 119 Cb 0.42 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.56 2c50 h PRO 119 CO -0.35 0.04 -0.58 0.77 -0.23 0.00 0.00 178.00 177.65 2c50 h SER 120 N 0.00 0.77 0.04 1.44 0.02 -1.03 -2.12 113.55 112.67 2c50 h SER 120 Ca -0.00 -0.61 -0.00 0.00 -0.84 0.00 0.00 61.79 60.33 2c50 h SER 120 Cb 0.35 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2c50 h SER 120 CO 0.01 1.25 -0.02 0.00 -1.14 0.00 0.00 176.83 176.93 2c50 h ALA 121 N 0.54 -0.05 -0.42 3.77 0.00 -1.00 -2.25 119.26 119.84 2c50 h ALA 121 Ca -0.03 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.83 2c50 h ALA 121 Cb 1.21 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.96 2c50 h ALA 121 CO 0.12 -0.42 0.09 0.82 0.00 0.00 0.00 179.25 179.87 2c50 h ILE 122 N -0.27 0.79 0.00 0.00 2.04 -1.45 -1.76 117.51 116.86 2c50 h ILE 122 Ca -0.01 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.78 2c50 h ILE 122 Cb 0.25 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 2c50 h ILE 122 CO 0.01 0.04 0.00 0.00 0.00 0.00 0.00 178.15 178.20 2c50 h ALA 123 N 1.32 1.00 -0.47 1.87 0.00 -1.31 -2.72 119.26 118.94 2c50 h ALA 123 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2c50 h ALA 123 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2c50 h ALA 123 CO -0.26 0.00 0.00 0.00 0.00 0.00 0.00 179.25 178.99 2c50 n ALA 124 N -2.06 2.36 -3.75 0.00 0.00 -0.74 -4.97 120.51 111.35 2c50 n ALA 124 Ca -0.00 -1.30 -0.25 0.00 0.00 0.00 0.00 53.44 51.89 2c50 n ALA 124 Cb 0.24 -0.64 0.04 0.00 0.00 0.00 0.00 19.45 19.09 2c50 n ALA 124 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2c50 n ASN 125 N 0.81 -3.51 -2.57 0.00 3.02 -0.81 -4.98 115.26 107.22 2c50 n ASN 125 Ca 0.17 -0.74 -0.13 0.00 -0.03 0.00 0.00 54.58 53.84 2c50 n ASN 125 Cb 0.55 -4.24 -0.05 0.00 -0.61 0.00 0.00 39.78 35.43 2c50 n ASN 125 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2c50 n SER 126 N -2.97 -0.04 -3.19 6.41 3.41 -0.75 -5.06 113.62 111.44 2c50 n SER 126 Ca -0.11 -2.39 -0.10 0.00 -0.26 0.00 0.00 58.87 56.00 2c50 n SER 126 Cb 0.60 0.96 0.01 0.00 -0.26 0.00 0.00 64.21 65.52 2c50 n SER 126 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2c50 n GLY 127 N -0.22 2.71 3.72 5.00 0.00 -1.26 -4.40 105.19 110.73 2c50 n GLY 127 Ca 0.03 -2.21 -0.38 0.00 0.00 0.00 0.00 46.02 43.45 2c50 n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2c50 s ILE 128 N -0.99 5.16 0.00 -0.61 -1.09 -1.26 -4.85 121.20 117.56 2c50 s ILE 128 Ca 0.16 1.05 0.00 0.00 -2.23 0.00 0.00 60.65 59.62 2c50 s ILE 128 Cb -0.01 -3.86 0.00 0.00 -1.58 0.00 0.00 42.46 37.01 2c50 s ILE 128 CO 0.10 0.30 0.00 0.00 -1.23 0.00 0.00 174.94 174.11